2-(3-bromo-5-methoxyanilino)-6-methylpyridine-4-carbonitrile

C14H12BrN3O — CID 114766532

IUPAC2-(3-bromo-5-methoxyanilino)-6-methylpyridine-4-carbonitrile
SMILESCOc1cc(Br)cc(Nc2cc(C#N)cc(C)n2)c1
InChIInChI=1S/C14H12BrN3O/c1-9-3-10(8-16)4-14(17-9)18-12-5-11(15)6-13(7-12)19-2/h3-7H,1-2H3,(H,17,18)
InChIKeySDSGMVVMIBYBGU-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.78
Rot. Bonds3

About 2-(3-bromo-5-methoxyanilino)-6-methylpyridine-4-carbonitrile

2-(3-bromo-5-methoxyanilino)-6-methylpyridine-4-carbonitrile (PubChem CID 114766532) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is 2-(3-bromo-5-methoxyanilino)-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-bromo-5-methoxyanilino)-6-methylpyridine-4-carbonitrile
PubChem CID114766532
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name2-(3-bromo-5-methoxyanilino)-6-methylpyridine-4-carbonitrile
SMILESCOc1cc(Br)cc(Nc2cc(C#N)cc(C)n2)c1
InChIInChI=1S/C14H12BrN3O/c1-9-3-10(8-16)4-14(17-9)18-12-5-11(15)6-13(7-12)19-2/h3-7H,1-2H3,(H,17,18)
InChIKeySDSGMVVMIBYBGU-UHFFFAOYSA-N
XLogP3.78
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-(3,5-dimethoxyanilino)pyridine-4-carbonitrile
CID 83072934
2-[(6-methoxy-3-pyridinyl)amino]-6-methylpyridine-4-carbonitrile
CID 114765734
2-(3,5-dimethoxyanilino)-6-methylpyrimidine-4-carbonitrile
CID 107543373
2-(3-bromo-4-fluoroanilino)-6-methylpyridine-4-carbonitrile
CID 114766617
4-(3-bromo-5-methoxyanilino)-2-chlorobenzonitrile
CID 82867818
2-(3-bromo-5-methoxyanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 82860701
N-(3-bromo-5-methoxyphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 82858768
6-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
CID 64590042
6-(3-bromo-5-methoxyanilino)-2-methylpyridine-3-carboxylic acid
CID 82859216
2-(2-methoxy-5-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114765717
2-methyl-6-(pyridin-3-ylamino)pyridine-4-carbonitrile
CID 114765647
4-N-(3,5-dimethoxyphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80759200

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-methoxyanilino)-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-(3-bromo-5-methoxyanilino)-6-methylpyridine-4-carbonitrile (CID 114766532) is 2-(3-bromo-5-methoxyanilino)-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-(3-bromo-5-methoxyanilino)-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-(3-bromo-5-methoxyanilino)-6-methylpyridine-4-carbonitrile is COc1cc(Br)cc(Nc2cc(C#N)cc(C)n2)c1.
What is the InChIKey of 2-(3-bromo-5-methoxyanilino)-6-methylpyridine-4-carbonitrile?
The InChIKey is SDSGMVVMIBYBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O/c1-9-3-10(8-16)4-14(17-9)18-12-5-11(15)6-13(7-12)19-2/h3-7H,1-2H3,(H,17,18).
What are the key properties of 2-(3-bromo-5-methoxyanilino)-6-methylpyridine-4-carbonitrile?
2-(3-bromo-5-methoxyanilino)-6-methylpyridine-4-carbonitrile has a molecular weight of 318.17 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-methoxyanilino)-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114766532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).